Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: AMP_A_2(3VNS) / Model_7(3VNS/A) = [6.1]
| Download | 781.35 | 8.94 | MDSFFRKKAIVRMSQNSLLDLYAHPTVVARFSEMAALHPHREAIRDRFGSVDYRQLLDSAEQLSDYLLEHYPQPGVCLGVYGEYSRESITCLLAILLSGHHYLYIDLKQPAAWNAELCRQVDCRLILDCSTTPTPANGLPCVPVRHLPAAPASVARPCFAADQIAYINFSSGTTGRPKAIACTHAGITRLCLGQSFLAFAPQMRFLVNSPLSFDAATLEIWGALLNGGCCVLNDLGPLDPGVLRQLIGERGADSAWLTASLFNTLVDLDPDCLGGLRQLLTGGDILSVPHVRRALLRHPRLHLVNGYGPTENTTFTCCHVVTDDDLEEDDIPIGKAIAGTAVLLLDEHGQEIAEPDRAGEIVAFGAGLAQGYRNDAARTRASFVELPYRGRLLRAYRTGDRARYDEQGRLRFIGRGDGQVKLNGYRLDLPALEQRFRRQPGILDCALLVRERNGVKQLLCAWTGKADASPQALLRQLPTWQRPHACVRVEALPLTAHGKLDRAALLRRLEEPLERCASALDPDQRGCAQLWSELLGCEVGAADQDFFLCGGNSLLALQLVALCQSAGAGANLGLADLQANSRLDQFSRLLRSHGLAPERLLERAATPEQPLVLSRSAA |
Complex: AMP_A_2(4DG8) / Model_1(4DG8/A) = [6.9]
| Download | 876.09 | 18.41 | MDSFFRKKAIVRMSQNSLLDLYAHPTVVARFSEMAALHPHREAIRDRFGSVDYRQLLDSAEQLSDYLLEHYPQPGVCLGVYGEYSRESITCLLAILLSGHHYLYIDLKQPAAWNAELCRQVDCRLILDCSTTPTPANGLPCVPVRHLPAAPASVARPCFAADQIAYINFSSGTTGRPKAIACTHAGITRLCLGQSFLAFAPQMRFLVNSPLSFDAATLEIWGALLNGGCCVLNDLGPLDPGVLRQLIGERGADSAWLTASLFNTLVDLDPDCLGGLRQLLTGGDILSVPHVRRALLRHPRLHLVNGYGPTENTTFTCCHVVTDDDLEEDDIPIGKAIAGTAVLLLDEHGQEIAEPDRAGEIVAFGAGLAQGYRNDAARTRASFVELPYRGRLLRAYRTGDRARYDEQGRLRFIGRGDGQVKLNGYRLDLPALEQRFRRQPGILDCALLVRERNGVKQLLCAWTGKADASPQALLRQLPTWQRPHACVRVEALPLTAHGKLDRAALLRRLEEPLERCASALDPDQRGCAQLWSELLGCEVGAADQDFFLCGGNSLLALQLVALCQSAGAGANLGLADLQANSRLDQFSRLLRSHGLAPERLLERAATPEQPLVLSRSAA |
Complex: ATP_A_2(3VNQ) / Model_6(3VNQ/A) = [7.3]
| Download | 960.68 | 1.23 | MDSFFRKKAIVRMSQNSLLDLYAHPTVVARFSEMAALHPHREAIRDRFGSVDYRQLLDSAEQLSDYLLEHYPQPGVCLGVYGEYSRESITCLLAILLSGHHYLYIDLKQPAAWNAELCRQVDCRLILDCSTTPTPANGLPCVPVRHLPAAPASVARPCFAADQIAYINFSSGTTGRPKAIACTHAGITRLCLGQSFLAFAPQMRFLVNSPLSFDAATLEIWGALLNGGCCVLNDLGPLDPGVLRQLIGERGADSAWLTASLFNTLVDLDPDCLGGLRQLLTGGDILSVPHVRRALLRHPRLHLVNGYGPTENTTFTCCHVVTDDDLEEDDIPIGKAIAGTAVLLLDEHGQEIAEPDRAGEIVAFGAGLAQGYRNDAARTRASFVELPYRGRLLRAYRTGDRARYDEQGRLRFIGRGDGQVKLNGYRLDLPALEQRFRRQPGILDCALLVRERNGVKQLLCAWTGKADASPQALLRQLPTWQRPHACVRVEALPLTAHGKLDRAALLRRLEEPLERCASALDPDQRGCAQLWSELLGCEVGAADQDFFLCGGNSLLALQLVALCQSAGAGANLGLADLQANSRLDQFSRLLRSHGLAPERLLERAATPEQPLVLSRSAA |
Complex: DG9_A_2(4DG9) / Model_53(4DG9/A) = [9.8]
| Download | 1856.53 | 29.06 | MDSFFRKKAIVRMSQNSLLDLYAHPTVVARFSEMAALHPHREAIRDRFGSVDYRQLLDSAEQLSDYLLEHYPQPGVCLGVYGEYSRESITCLLAILLSGHHYLYIDLKQPAAWNAELCRQVDCRLILDCSTTPTPANGLPCVPVRHLPAAPASVARPCFAADQIAYINFSSGTTGRPKAIACTHAGITRLCLGQSFLAFAPQMRFLVNSPLSFDAATLEIWGALLNGGCCVLNDLGPLDPGVLRQLIGERGADSAWLTASLFNTLVDLDPDCLGGLRQLLTGGDILSVPHVRRALLRHPRLHLVNGYGPTENTTFTCCHVVTDDDLEEDDIPIGKAIAGTAVLLLDEHGQEIAEPDRAGEIVAFGAGLAQGYRNDAARTRASFVELPYRGRLLRAYRTGDRARYDEQGRLRFIGRGDGQVKLNGYRLDLPALEQRFRRQPGILDCALLVRERNGVKQLLCAWTGKADASPQALLRQLPTWQRPHACVRVEALPLTAHGKLDRAALLRRLEEPLERCASALDPDQRGCAQLWSELLGCEVGAADQDFFLCGGNSLLALQLVALCQSAGAGANLGLADLQANSRLDQFSRLLRSHGLAPERLLERAATPEQPLVLSRSAA |
Complex: DG9_A_2(4DG9) / Model_2(4DG9/A) = [9.8]
| Download | 1905.72 | 29.06 | MDSFFRKKAIVRMSQNSLLDLYAHPTVVARFSEMAALHPHREAIRDRFGSVDYRQLLDSAEQLSDYLLEHYPQPGVCLGVYGEYSRESITCLLAILLSGHHYLYIDLKQPAAWNAELCRQVDCRLILDCSTTPTPANGLPCVPVRHLPAAPASVARPCFAADQIAYINFSSGTTGRPKAIACTHAGITRLCLGQSFLAFAPQMRFLVNSPLSFDAATLEIWGALLNGGCCVLNDLGPLDPGVLRQLIGERGADSAWLTASLFNTLVDLDPDCLGGLRQLLTGGDILSVPHVRRALLRHPRLHLVNGYGPTENTTFTCCHVVTDDDLEEDDIPIGKAIAGTAVLLLDEHGQEIAEPDRAGEIVAFGAGLAQGYRNDAARTRASFVELPYRGRLLRAYRTGDRARYDEQGRLRFIGRGDGQVKLNGYRLDLPALEQRFRRQPGILDCALLVRERNGVKQLLCAWTGKADASPQALLRQLPTWQRPHACVRVEALPLTAHGKLDRAALLRRLEEPLERCASALDPDQRGCAQLWSELLGCEVGAADQDFFLCGGNSLLALQLVALCQSAGAGANLGLADLQANSRLDQFSRLLRSHGLAPERLLERAATPEQPLVLSRSAA |
Consensus [pKd Mean = 7.98] | - | 1276 (s=497) | 17 (s=11) | MDSFFRKKAIVRMSQNSLLDLYAHPTVVARFSEMAALHPHREAIRDRFGSVDYRQLLDSAEQLSDYLLEHYPQPGVCLGVYGEYSRESITCLLAILLSGHHYLYIDLKQPAAWNAELCRQVDCRLILDCSTTPTPANGLPCVPVRHLPAAPASVARPCFAADQIAYINFSSGTTGRPKAIACTHAGITRLCLGQSFLAFAPQMRFLVNSPLSFDAATLEIWGALLNGGCCVLNDLGPLDPGVLRQLIGERGADSAWLTASLFNTLVDLDPDCLGGLRQLLTGGDILSVPHVRRALLRHPRLHLVNGYGPTENTTFTCCHVVTDDDLEEDDIPIGKAIAGTAVLLLDEHGQEIAEPDRAGEIVAFGAGLAQGYRNDAARTRASFVELPYRGRLLRAYRTGDRARYDEQGRLRFIGRGDGQVKLNGYRLDLPALEQRFRRQPGILDCALLVRERNGVKQLLCAWTGKADASPQALLRQLPTWQRPHACVRVEALPLTAHGKLDRAALLRRLEEPLERCASALDPDQRGCAQLWSELLGCEVGAADQDFFLCGGNSLLALQLVALCQSAGAGANLGLADLQANSRLDQFSRLLRSHGLAPERLLERAATPEQPLVLSRSAA |